tert-butyl 4-[4-[[(4-chlorophenyl)carbonylamino]methyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[(4-chlorophenyl)carbonylamino]methyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[[(4-chlorophenyl)-oxomethyl]amino]methyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O3/c1-23(2,3)30-22(29)27-14-12-26(13-15-27)20-10-4-17(5-11-20)16-25-21(28)18-6-8-19(24)9-7-18/h4-11H,12-16H2,1-3H3,(H,25,28)